SCHEMBL6798043

SCHEMBL6798043

Oc1ccc(CCNC(c2ccccn2)C2CCCCC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.40
RAB9A P51151 6/20 0.38
NPC1 O15118 5/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
STAT6 P42226 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
ADORA2A P29274 1/20 0.37
HAT1 O14929 1/20 0.37
EP300 Q09472 1/20 0.37
LMNA P02545 3/20 0.36
ALOX12 P18054 1/20 0.36
TP53 P04637 1/20 0.36
EPHX1 P07099 1/20 0.36
TSHR P16473 1/20 0.36
EPHX2 P34913 1/20 0.36
ADRB2 P07550 2/20 0.36
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
OPRM1 P35372 2/20 0.36
CYP2D6 P10635 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6802479 0.88 CTSS (0.43) RAB9ANPC1MEN1KMT2A
SCHEMBL6808909 0.79 SMN1; SMN2 (0.38) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL6803422 0.77 CTSS (0.52) RAB9ANPC1SMN1; SMN2LMNAEPHX1
SCHEMBL6807801 0.75 KCNA5 (0.39) SMN1; SMN2TSHRHIF1AMEN1KMT2A
SCHEMBL6808965 0.73 TSHR (0.47) RAB9ANPC1SMN1; SMN2TSHREPHX2
SCHEMBL14873381 0.72 KCNA5 (0.42) SMN1; SMN2TSHRSLC6A2SLC6A4SLC6A3
SCHEMBL12061526 0.71 TAAR1 (0.40) RAB9ANPC1SMN1; SMN2TAAR1LMNA
SCHEMBL20217274 0.70 KCNA5 (0.41) SMN1; SMN2TP53TSHRSLC6A2SLC6A4
SCHEMBL9782267 0.69 ADRB2 (0.51) OPRK1LMNATSHRADRB2SLC6A4
SCHEMBL6180760 0.69 NPC1 (0.47) RAB9ANPC1ALOX12KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR OPRK1 140/4885RAB9A 1163/4885NPC1 2721/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.